4-Dimethylamino-1-trifluoroacetylpyridinium trifluoroacetate - CAS 181828-01-3
Catalog: |
BB013841 |
Product Name: |
4-Dimethylamino-1-trifluoroacetylpyridinium trifluoroacetate |
CAS: |
181828-01-3 |
Synonyms: |
1-[4-(dimethylamino)pyridin-1-ium-1-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroacetate |
IUPAC Name: | 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-2,2,2-trifluoroethanone;2,2,2-trifluoroacetate |
Description: | 4-Dimethylamino-1-trifluoroacetylpyridinium trifluoroacetate (CAS# 181828-01-3) is a useful research chemical. |
Molecular Weight: | 332.20 |
Molecular Formula: | C11H10F6N2O3 |
Canonical SMILES: | CN(C)C1=CC=[N+](C=C1)C(=O)C(F)(F)F.C(=O)(C(F)(F)F)[O-] |
InChI: | InChI=1S/C9H10F3N2O.C2HF3O2/c1-13(2)7-3-5-14(6-4-7)8(15)9(10,11)12;3-2(4,5)1(6)7/h3-6H,1-2H3;(H,6,7)/q+1;/p-1 |
InChI Key: | GOSOPAPEXLJAEZ-UHFFFAOYSA-M |
Purity: | > 98.0 % (LC) (N) |
Appearance: | White solid |
MDL: | MFCD01321272 |
LogP: | 0.02100 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3207023-A2 | Process for the preparation of halo-substituted benzenes | 20141014 |
EP-3207023-B1 | Process for the preparation of 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone and derivatives thereof | 20141014 |
EP-3207024-A1 | Process for the preparation of halo-substituted trifluoroacetophenones | 20141014 |
EP-3207024-B1 | Process for the preparation of halo-substituted trifluoroacetophenones | 20141014 |
EP-3597627-A1 | Process for the preparation of 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone and derivatives thereof | 20141014 |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 332.05956116 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 332.05956116 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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